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CHEBI:228553 - Sildenafil N-oxide

ChEBI IDCHEBI:228553
ChEBI NameSildenafil N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N6O5S
Net Charge0
Average Mass490.586
Monoisotopic Mass490.19984
SMILESCCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CC[N+](C)([O-])CC4)ccc3OCC)nc12
InChIInChI=1S/C22H30N6O5S/c1-5-7-17-19-20(26(3)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)33-6-2)34(31,32)27-10-12-28(4,30)13-11-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKeyJQGFLCMKCZPSEC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
Sildenafil N-oxide (CHEBI:228553) is a sulfonamide (CHEBI:35358)
IUPAC Name 
5-[2-ethoxy-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)sulonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Manual XrefsDatabases
27523930ChemSpider